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DocumentationIdentifier: MM195991
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195991 |
| SMILES |
CCCC1NC1C(C)N
|
| InChIKey |
XQQNDXDORPCRGC-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210536
Similarity: 0.88
Similarity to MM210536
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9362 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125059
Similarity: 0.8376
Similarity to MM125059
| Tanimoto metric | 0.8376 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196312
Similarity: 0.8244
Similarity to MM196312
| Tanimoto metric | 0.8244 |
|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.9038 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
